PF-03463275   Click here for help

GtoPdb Ligand ID: 9057

Synonyms: compound 10 [PMID: 19410451] | KB-79869 | PF-3463275
Compound class: Synthetic organic
Comment: PF-03463275 is an orally available, CNS-penetrant inhibitor of SLC6A9, the GlyT1 glycine transporter [1], developed for potential anti-schizophrenia activity.

This entry represents the parent molecule. Its hydrochloride salt has PubChem CID 91799199.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 41.37
Molecular weight 376.15
XLogP 2.76
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CN1CC2C(C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F
Isomeric SMILES CN1C[C@@H]2[C@H](C1)C2CN(C(=O)c1ncn(c1)C)Cc1ccc(c(c1)Cl)F
InChI InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15?
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 10 [PMID: 19410451] | KB-79869 | PF-3463275
Database Links Click here for help
BindingDB Ligand 50293564
ChEMBL Ligand CHEMBL563251
GtoPdb PubChem SID 315661142
PubChem CID 44156901
Search Google for chemical match using the InChIKey KYLOBHXXQOZRKK-YIONKMFJSA-N
Search Google for chemicals with the same backbone KYLOBHXXQOZRKK
UniChem Compound Search for chemical match using the InChIKey KYLOBHXXQOZRKK-YIONKMFJSA-N
UniChem Connectivity Search for chemical match using the InChIKey KYLOBHXXQOZRKK-YIONKMFJSA-N